SCHEMBL3499028

SCHEMBL3499028

O=C(O)C(O)C(O)C(=O)Nc1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
HTT P42858 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 2/20 0.57
NPC1 O15118 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.51
ATM Q13315 1/20 0.51
GRIK1 P39086 1/20 0.49
CXCR2 P25025 2/20 0.48
EGFR P00533 1/20 0.47
GAA P10253 2/20 0.46
CXCR1 P25024 2/20 0.46
MAPT P10636 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
TP53 P04637 1/20 0.46
ANPEP P15144 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3347123 0.79 RAB9A (0.56) HTTLMNARAB9ANPC1GAA
SCHEMBL19283574 0.79 ALDH1A1 (0.58) KMT2AHTTMEN1LMNARAB9A
SCHEMBL3347133 0.79 RAB9A (0.56) HTTLMNARAB9ANPC1GAA
SCHEMBL15412316 0.79 ALDH1A1 (0.58) KMT2AHTTMEN1LMNARAB9A
SCHEMBL7106954 0.79 ALDH1A1 (0.58) KMT2AHTTMEN1LMNARAB9A
SCHEMBL3497579 0.79 RAB9A (0.56) HTTLMNARAB9ANPC1GAA
SCHEMBL2711534 0.79 L3MBTL1 (0.58) KMT2AHTTMEN1LMNARAB9A
SCHEMBL13235126 0.77 HTT (0.81) KMT2AHTTMEN1LMNARAB9A
SCHEMBL13390992 0.77 TP53 (0.65) KMT2AHTTMEN1LMNARAB9A
SCHEMBL14715852 0.76 POLB (0.57) KMT2AHTTMEN1LMNARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 US disclosed
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE TERF2, TERF2IP, TCOF1 KMT2A 3542/4885HTT 809/4885MEN1 1706/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.